%chk=000184637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184637

0 1
O -2.144307 1.970041 1.255819
O -2.357383 -2.431806 -1.791829
N -1.046028 0.572521 -0.154473
N -3.509291 -0.696924 -0.881779
N 2.708863 0.687300 0.447129
C -0.979208 -0.624371 -1.032360
C -3.551710 0.449555 0.063010
C 0.234669 1.301648 0.146574
C 0.020197 -1.676334 -0.480589
C -4.366739 -0.043314 1.281447
C -2.202065 1.037779 0.463666
C -2.320516 -1.346447 -1.235790
C 1.379503 0.338417 0.143245
C -4.744252 -1.519734 -0.670547
C 1.301790 -1.019868 -0.141453
C -5.226007 -1.211230 0.762016
C 0.445030 2.442900 -0.876705
C 2.625123 -1.567502 -0.020086
C 3.490322 -0.476301 0.345312
C 1.080723 3.637793 -0.209658
C 3.175192 -2.853814 -0.178900
C 4.874222 -0.659797 0.547940
C 0.177445 4.425439 0.683256
C 4.533111 -3.026392 0.021047
C 5.373239 -1.938383 0.381242
C 2.359988 3.962205 -0.416539
H -0.621714 -0.281345 -2.046571
H -4.112979 1.279915 -0.458290
H 0.120528 1.741629 1.186027
H 0.156770 -2.479779 -1.238496
H -0.395723 -2.180773 0.418485
H -4.982301 0.772731 1.698060
H -3.702577 -0.370214 2.102371
H -4.528795 -2.598792 -0.831242
H -5.492778 -1.216635 -1.432653
H -5.121058 -2.095656 1.414632
H -6.298216 -0.949460 0.766984
H -0.527185 2.747308 -1.319934
H 1.048933 2.086551 -1.734899
H 3.034771 1.615954 0.647382
H 2.531290 -3.686105 -0.454294
H 5.512242 0.172722 0.823848
H 0.712370 4.892003 1.519629
H -0.313534 5.234755 0.123738
H -0.632611 3.810568 1.117775
H 4.981465 -4.010893 -0.096429
H 6.435999 -2.129418 0.526921
H 3.018436 3.425484 -1.080018
H 2.835759 4.815665 0.040877


%chk=000184637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184637

0 1
O -2.268514 1.971030 1.248153
O -2.306307 -2.670426 -1.707327
N -1.081242 0.422190 -0.028791
N -3.455465 -0.986297 -0.610662
N 2.676092 0.724391 0.407842
C -0.991105 -0.773784 -0.923196
C -3.569649 0.350388 0.007887
C 0.162247 1.209645 0.264993
C 0.060714 -1.789363 -0.381849
C -4.645088 0.124626 1.097860
C -2.252754 0.951922 0.481920
C -2.315327 -1.538284 -1.127274
C 1.356977 0.302527 0.180661
C -4.734914 -1.740437 -0.519502
C 1.342110 -1.063254 -0.088498
C -5.630654 -0.842055 0.384406
C 0.251653 2.468350 -0.677586
C 2.713742 -1.526917 -0.027500
C 3.531409 -0.377978 0.279163
C 1.140690 3.576597 -0.120428
C 3.338252 -2.788865 -0.208368
C 4.934565 -0.464546 0.403926
C 0.575068 4.350543 1.057326
C 4.738648 -2.879793 -0.083938
C 5.528081 -1.730683 0.218361
C 2.350696 3.874509 -0.672395
H -0.639757 -0.436417 -1.921022
H -3.976161 1.072282 -0.736842
H 0.028177 1.583881 1.298479
H 0.186165 -2.576185 -1.145561
H -0.348055 -2.286586 0.520524
H -5.110274 1.067859 1.421417
H -4.182581 -0.353827 1.979629
H -4.529774 -2.733617 -0.081296
H -5.167328 -1.907257 -1.522084
H -6.219430 -1.441008 1.098071
H -6.341347 -0.266237 -0.235866
H -0.776405 2.865142 -0.777209
H 0.602980 2.146934 -1.674855
H 2.953620 1.698396 0.533375
H 2.742317 -3.678588 -0.441164
H 5.545741 0.414332 0.637905
H 1.309192 5.061412 1.472848
H -0.321434 4.919600 0.743295
H 0.232371 3.679438 1.866732
H 5.234676 -3.847135 -0.221185
H 6.615206 -1.834589 0.308796
H 2.729406 3.339331 -1.551779
H 2.973774 4.688398 -0.282494


